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886363-87-7 | 3-Pyrrolidinecarboxylicacid, 1-[2-amino-1-(3-phenoxyphenyl)ethyl]-
CAS No: 886363-87-7 Catalog No: AG0049LW MDL No:
Product Description
Catalog Number:
AG0049LW
Chemical Name:
3-Pyrrolidinecarboxylicacid, 1-[2-amino-1-(3-phenoxyphenyl)ethyl]-
CAS Number:
886363-87-7
Molecular Formula:
C19H22N2O3
Molecular Weight:
326.3896
IUPAC Name:
1-[2-amino-1-(3-phenoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C19H22N2O3/c20-12-18(21-10-9-15(13-21)19(22)23)14-5-4-8-17(11-14)24-16-6-2-1-3-7-16/h1-8,11,15,18H,9-10,12-13,20H2,(H,22,23)
InChI Key:
FXNAGGPWQCQISF-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1)Oc1ccccc1)N1CCC(C1)C(=O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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